Mod:Hunt Research Group/gromacs 1

Gromacs

• website is http://www.gromacs.org

Install

• use sudo MacPorts

sudo port search --name --line --glob '*cmake*'
sudo port install cmake
sudo port search --name --line --glob '*gromacs*'
sudo port install gromacs

• install the gromacs bashrc (GMXRC.bash) in your .bashrc

add the following into your .bashrc and run

#
# gromacs
#
   . /opt/local/bin/GMXRC.bash
#

• then test things are working with

gmx -version